# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 104.05 6.11 11.47 18.91 113.10 -155.85 -90.66 132.43 99.71 0.10 0.18 99.60 0.11 0.10 0.12 0.01 0.00 0.04 0.03 1 A C C 74.35 2.95 10.53 14.84 101.62 -121.40 -71.94 -17.70 58.03 1.12 40.84 50.79 1.17 6.47 38.24 2.31 0.00 0.53 0.48 2 F H H 142.19 2.55 9.66 13.53 101.31 52.54 -78.16 -18.21 43.59 0.98 55.43 27.21 6.68 10.98 50.44 3.78 0.01 0.45 0.44 3 N H H 92.43 3.85 10.83 16.20 98.59 61.97 -71.97 -31.19 34.16 0.62 65.22 22.43 4.92 7.96 60.56 3.58 0.01 0.28 0.27 4 N H H 96.09 2.99 12.48 16.47 95.70 56.55 -68.42 -36.00 15.36 0.20 84.44 8.96 2.78 4.46 81.30 2.33 0.01 0.09 0.08 5 A H H 60.87 2.78 13.52 17.19 93.59 53.97 -65.52 -40.25 6.75 0.10 93.15 3.23 1.17 2.67 91.27 1.56 0.01 0.05 0.03 6 L H H 88.93 3.94 14.05 19.11 92.41 50.32 -66.17 -39.82 3.98 0.07 95.95 1.74 0.59 1.77 94.62 1.21 0.01 0.04 0.02 7 R H H 126.01 3.53 15.20 19.62 92.29 51.21 -65.59 -40.16 2.47 0.04 97.49 0.98 0.35 1.11 96.81 0.71 0.00 0.02 0.01 8 S H H 57.41 2.77 16.24 19.30 92.43 51.04 -65.17 -40.34 2.18 0.02 97.79 0.76 0.26 1.05 97.38 0.52 0.00 0.01 0.01 9 A H H 52.47 3.77 15.39 20.25 92.38 50.79 -64.72 -40.88 1.99 0.02 97.99 0.58 0.21 1.06 97.68 0.46 0.00 0.01 0.00 10 A H H 51.22 4.92 14.90 21.06 92.27 51.42 -64.61 -40.76 1.65 0.02 98.33 0.52 0.19 0.81 98.09 0.38 0.00 0.01 0.00 11 K H H 126.44 2.33 16.30 18.86 92.24 51.42 -65.22 -39.36 2.01 0.04 97.96 0.66 0.22 1.02 97.59 0.47 0.00 0.02 0.01 12 L H H 96.57 2.74 15.37 18.63 92.62 50.48 -65.88 -39.88 2.48 0.05 97.47 0.74 0.28 1.37 96.96 0.60 0.01 0.03 0.01 13 I H H 91.76 4.70 14.04 19.81 93.42 49.71 -66.70 -38.62 3.78 0.07 96.14 1.15 0.49 2.04 95.51 0.74 0.01 0.04 0.02 14 A H H 67.18 3.59 14.33 18.77 93.79 52.30 -68.39 -33.47 9.85 0.13 90.02 2.69 1.27 5.75 89.04 1.13 0.02 0.06 0.05 15 S H H 73.60 2.45 13.92 16.82 96.79 54.75 -74.27 -25.58 26.19 0.31 73.50 7.10 3.78 15.44 71.40 1.94 0.04 0.13 0.16 16 S H H 64.33 4.86 11.93 18.14 100.93 63.94 -81.77 -14.00 35.38 0.61 64.01 16.76 7.00 12.99 59.36 3.31 0.03 0.26 0.30 17 E H H 121.60 4.46 11.85 17.78 100.04 78.20 -77.38 -16.20 32.67 0.70 66.63 18.29 6.21 9.71 58.60 6.52 0.02 0.35 0.29 18 S H H 77.00 2.93 12.19 16.31 102.98 77.79 -75.66 -2.03 35.97 0.78 63.26 20.33 5.87 10.95 53.79 8.31 0.02 0.42 0.30 19 S H H 76.91 3.34 11.59 16.22 100.69 61.30 -80.55 -7.67 40.05 1.08 58.87 22.95 7.11 11.57 48.93 8.41 0.02 0.58 0.43 20 I H H 102.60 5.88 9.74 17.10 106.16 67.35 -89.44 64.57 45.32 1.61 53.08 26.92 9.19 11.05 44.44 6.91 0.03 0.84 0.62 21 S C C 75.66 3.89 11.05 16.56 108.43 95.63 -85.59 110.11 55.61 1.69 42.70 37.60 8.59 9.79 36.20 6.27 0.01 0.92 0.62 22 T C C 100.58 2.99 11.05 15.58 107.77 -162.09 -91.70 60.14 59.58 2.42 38.00 37.91 9.88 11.92 30.37 7.66 0.02 1.41 0.83 23 S C C 79.52 3.45 11.09 16.12 112.18 62.13 -90.75 130.05 63.56 5.46 30.98 41.51 9.50 12.13 24.08 7.52 0.03 3.73 1.51 24 V C C 92.70 6.50 9.19 17.26 114.45 -152.41 -97.41 128.93 68.46 9.37 22.17 46.07 11.49 10.13 17.30 5.85 0.03 6.80 2.32 25 S C C 82.25 3.07 11.16 16.02 113.44 -156.87 -100.03 120.25 73.50 12.18 14.32 50.30 12.84 9.58 10.83 4.40 0.03 9.24 2.78 26 R C C 155.93 4.07 9.98 16.06 113.46 -165.52 -98.87 122.79 78.56 11.24 10.20 49.13 18.39 11.05 6.42 4.02 0.02 8.74 2.23 27 G C C 50.64 3.79 11.14 16.56 117.36 -145.12 -108.67 157.68 80.76 12.33 6.90 50.25 18.76 11.90 3.00 3.82 0.01 10.24 2.02 28 F C C 148.06 4.31 9.95 16.25 115.99 -119.58 -100.16 127.00 73.18 20.08 6.74 48.42 16.28 8.18 3.22 3.74 0.02 15.34 4.79 29 H C C 127.39 4.27 10.94 17.08 117.98 -159.74 -108.87 133.14 72.71 21.76 5.54 54.48 11.41 5.69 2.88 2.98 0.01 17.34 5.22 30 S C C 77.81 4.70 10.81 17.56 117.15 -147.06 -96.50 137.81 78.93 15.79 5.27 58.61 14.85 4.94 3.10 2.49 0.01 12.12 3.88 31 T C C 70.72 7.03 9.83 18.45 122.34 -154.10 -108.99 145.70 83.29 8.38 8.33 57.32 21.12 4.74 6.29 2.55 0.00 5.61 2.38 32 P C C 95.82 3.18 13.05 17.43 107.80 -110.18 -71.66 140.59 68.96 5.09 25.95 42.32 17.79 9.14 19.60 6.45 0.03 3.26 1.41 33 M C C 111.46 6.14 10.57 18.12 108.82 -107.84 -77.96 129.73 54.02 6.77 39.22 35.43 10.54 8.58 26.69 12.34 0.05 4.61 1.77 34 K C C 131.05 4.48 11.49 17.54 107.93 -131.77 -86.49 105.98 51.40 11.19 37.41 35.95 7.87 7.68 24.15 13.32 0.06 8.21 2.77 35 R C C 150.66 4.34 11.08 17.04 107.26 -135.63 -89.69 83.98 48.79 14.65 36.56 29.66 9.94 10.16 22.44 13.63 0.24 9.71 4.21 36 M C C 120.01 4.77 10.26 16.62 108.93 45.11 -88.78 92.81 63.28 9.22 27.50 28.79 14.37 21.24 15.56 11.01 0.19 5.36 3.48 37 G C T 52.40 3.52 11.52 16.54 107.74 -31.15 76.94 28.27 82.43 4.01 13.57 28.71 20.99 33.87 4.92 7.61 0.02 2.01 1.87 38 G C S 51.04 3.57 11.00 16.21 112.11 -19.53 87.13 151.00 85.80 3.18 11.01 28.20 29.61 28.57 2.30 8.15 0.01 1.46 1.70 39 G C T 52.48 3.32 11.51 16.20 108.31 -6.22 45.82 -41.01 81.08 3.49 15.43 24.99 27.64 29.20 2.81 11.89 0.01 1.69 1.77 40 H C C 135.44 3.54 11.48 16.41 104.57 13.81 -88.85 18.60 77.48 5.03 17.49 29.22 20.87 28.29 3.33 13.33 0.02 2.34 2.58 41 G C C 39.08 6.64 10.98 18.93 108.10 88.52 -68.76 -32.31 70.18 4.83 24.99 31.97 16.64 22.16 3.71 20.84 0.01 2.29 2.38 42 H C T 127.41 4.51 11.76 17.69 101.84 68.41 -79.88 -3.69 74.47 3.26 22.27 23.31 17.10 34.48 2.95 19.01 0.01 1.63 1.51 43 D C C 97.78 4.31 12.28 17.96 101.84 60.27 -90.66 14.39 77.78 2.65 19.57 33.70 17.22 26.86 3.00 16.60 0.00 1.20 1.41 44 E C C 86.38 7.73 11.15 20.35 113.45 118.10 -82.03 137.51 67.67 2.63 29.70 36.37 18.59 13.28 6.87 22.08 0.01 1.15 1.64 45 P C T 90.75 4.47 14.60 20.14 96.15 -86.73 -67.47 -18.67 63.76 0.91 35.33 10.06 8.65 45.16 9.12 25.91 0.01 0.50 0.58 46 Y C T 110.34 8.70 13.83 23.49 99.92 56.23 -91.39 2.93 59.05 2.83 38.11 13.14 7.94 38.39 11.51 26.03 0.04 1.79 1.15 47 Y C C 73.22 12.11 13.20 26.14 108.94 107.79 -84.69 113.13 52.97 15.47 31.56 34.61 10.43 7.95 20.95 10.42 0.21 8.37 7.06 48 I H H 81.95 7.32 17.47 25.57 96.91 110.25 -73.18 -33.32 41.02 15.70 43.27 16.14 9.18 17.61 30.25 10.66 1.32 10.64 4.19 49 H H H 71.12 10.26 16.31 27.25 96.25 53.99 -71.56 -31.66 43.64 11.23 45.14 18.23 8.72 18.02 32.24 11.12 0.63 8.33 2.71 50 A H H 31.01 11.88 14.21 27.08 96.37 66.25 -65.80 -38.61 27.30 3.08 69.61 13.76 5.91 8.69 49.47 19.17 0.14 2.07 0.79 51 K H H 112.14 5.07 17.66 23.53 93.07 52.49 -67.33 -34.23 18.25 1.20 80.55 4.50 3.01 9.83 53.13 28.22 0.18 0.82 0.31 52 H H H 88.29 7.58 16.34 24.77 96.35 49.06 -81.90 -23.21 18.15 0.93 80.91 3.90 2.64 10.38 50.95 31.08 0.16 0.61 0.28 53 M H H 64.18 12.28 14.36 27.00 93.96 66.33 -70.12 -28.23 29.23 1.88 68.88 7.07 5.22 16.29 43.76 25.39 0.40 1.10 0.77 54 Y C T 107.58 8.86 14.44 24.20 99.77 49.40 -93.96 4.12 53.74 7.47 38.78 17.65 12.51 24.54 24.00 13.30 0.63 3.64 3.72 55 N C C 68.71 5.70 14.67 22.04 107.06 113.95 -91.66 103.96 86.48 5.27 8.25 69.52 11.02 4.76 6.57 2.20 0.00 2.20 3.72 56 L H G 85.14 9.37 10.42 20.97 93.79 -171.42 -64.61 -29.52 29.82 0.44 69.74 5.07 3.61 19.19 28.34 43.32 0.02 0.24 0.21 57 D H G 117.44 1.29 14.15 15.43 92.85 62.93 -70.32 -20.95 29.19 0.14 70.67 1.81 2.33 22.80 28.16 44.72 0.02 0.07 0.09 58 R H G 141.14 3.38 12.64 17.23 97.36 54.84 -88.56 -7.55 24.32 0.28 75.40 3.45 3.12 15.97 29.45 47.70 0.02 0.14 0.13 59 M H H 70.95 11.37 7.96 19.56 107.30 93.05 -83.73 98.53 42.54 1.37 56.09 23.55 9.43 10.08 35.55 20.05 0.03 0.62 0.69 60 K C T 150.61 1.88 13.97 16.39 101.47 -171.80 -78.86 -13.36 55.28 1.14 43.58 14.76 8.46 31.46 28.10 15.88 0.07 0.59 0.69 61 H C T 108.53 4.97 12.44 18.76 103.76 39.66 -99.77 55.21 61.66 0.60 37.74 17.03 8.45 36.33 24.09 13.35 0.03 0.27 0.44 62 R H H 116.02 7.20 12.72 21.38 95.19 158.51 -66.52 -35.44 17.12 0.17 82.71 8.34 3.41 6.24 77.55 4.29 0.01 0.07 0.08 63 G H H 37.83 4.97 14.67 20.83 93.16 55.72 -62.72 -41.67 10.22 0.10 89.68 2.93 1.34 6.05 85.17 4.38 0.02 0.05 0.04 64 L H H 90.57 3.52 16.14 20.13 92.68 49.62 -66.52 -39.41 7.47 0.12 92.41 2.57 0.93 4.09 88.15 4.13 0.01 0.08 0.04 65 K H H 102.34 4.91 16.55 22.33 92.63 50.74 -65.72 -41.20 2.99 0.05 96.96 1.20 0.41 1.38 95.86 1.11 0.00 0.02 0.01 66 M H H 78.29 6.20 16.41 23.82 92.05 50.16 -64.75 -41.90 0.94 0.01 99.05 0.35 0.09 0.40 98.92 0.23 0.00 0.00 0.00 67 S H H 49.47 5.05 17.23 23.23 92.02 51.27 -63.68 -41.85 0.57 0.00 99.42 0.14 0.04 0.29 99.38 0.14 0.00 0.00 0.00 68 L H H 86.98 3.46 19.03 22.50 92.12 49.72 -64.71 -41.46 0.24 0.00 99.76 0.05 0.02 0.13 99.74 0.07 0.00 0.00 0.00 69 A H H 49.15 5.69 18.06 24.73 91.87 50.92 -64.71 -41.76 0.23 0.00 99.77 0.04 0.01 0.12 99.78 0.04 0.00 0.00 0.00 70 V H H 66.09 6.48 18.20 25.48 92.10 48.79 -65.12 -42.14 0.27 0.00 99.73 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 71 F H H 106.61 4.29 19.93 24.37 91.95 49.71 -64.36 -41.91 0.30 0.00 99.70 0.04 0.01 0.18 99.72 0.05 0.00 0.00 0.00 72 S H H 49.01 4.79 19.11 24.40 92.26 50.37 -64.54 -41.96 0.49 0.00 99.51 0.05 0.03 0.34 99.50 0.08 0.00 0.00 0.00 73 A H H 44.74 7.06 17.92 26.13 92.07 50.60 -64.35 -41.89 0.61 0.00 99.39 0.07 0.03 0.44 99.33 0.13 0.00 0.00 0.00 74 F H H 100.05 6.37 19.17 26.09 92.15 48.92 -65.35 -41.54 0.98 0.00 99.01 0.08 0.05 0.77 98.87 0.22 0.00 0.00 0.00 75 S H H 55.90 4.39 19.51 24.10 92.18 50.53 -65.40 -41.49 1.96 0.00 98.03 0.13 0.10 1.61 97.82 0.33 0.00 0.00 0.00 76 I H H 88.67 4.44 19.60 24.22 92.89 47.09 -66.10 -40.23 2.12 0.00 97.88 0.12 0.12 1.79 97.03 0.93 0.00 0.00 0.00 77 G H H 26.43 9.23 16.92 27.14 92.72 50.43 -66.08 -39.66 4.87 0.00 95.13 0.18 0.17 4.58 93.66 1.41 0.00 0.00 0.00 78 V H H 75.95 6.12 18.95 25.47 94.33 46.60 -73.03 -35.54 20.77 0.01 79.21 0.27 0.58 20.60 76.85 1.66 0.02 0.00 0.01 79 A H H 54.46 4.48 19.33 24.04 93.39 51.94 -67.30 -39.29 11.12 0.02 88.86 0.43 0.68 9.96 87.88 1.02 0.02 0.00 0.01 80 V H H 64.28 6.30 18.42 25.60 92.52 53.93 -64.27 -43.12 1.85 0.00 98.15 0.44 0.19 0.85 98.19 0.32 0.00 0.00 0.00 81 P H H 51.71 8.84 17.26 27.17 91.91 50.66 -63.98 -40.69 1.06 0.00 98.94 0.28 0.07 0.56 98.72 0.36 0.00 0.00 0.00 82 V H H 78.34 4.16 19.60 23.93 91.87 49.73 -64.54 -42.02 0.22 0.00 99.78 0.03 0.01 0.13 99.63 0.20 0.00 0.00 0.00 83 Y H H 120.53 3.20 20.06 22.92 91.74 49.84 -64.61 -42.03 0.08 0.00 99.92 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 84 A H H 37.34 7.26 16.78 25.46 91.54 50.60 -64.15 -41.38 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 85 V H H 62.48 5.79 17.42 24.09 91.90 49.88 -64.83 -41.99 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 86 I H H 86.37 2.97 18.60 21.36 91.58 50.07 -63.65 -42.81 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 87 F H H 98.32 3.73 17.31 21.59 91.92 49.12 -64.42 -41.98 0.22 0.00 99.78 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 88 Q H H 78.50 5.62 15.61 22.23 91.80 50.36 -64.32 -40.86 0.62 0.00 99.38 0.06 0.03 0.44 99.39 0.09 0.00 0.00 0.00 89 Q H H 94.65 3.18 15.53 19.27 91.89 50.40 -64.39 -40.49 1.87 0.01 98.13 0.23 0.14 1.33 98.08 0.21 0.00 0.00 0.00 90 K H H 122.52 1.87 15.00 16.76 91.96 50.21 -65.38 -39.92 4.76 0.02 95.22 0.84 0.45 3.17 94.96 0.55 0.00 0.01 0.01 91 K H H 116.48 2.68 13.04 16.56 92.53 49.93 -66.45 -38.51 10.12 0.06 89.83 2.10 1.11 6.49 89.18 1.06 0.01 0.02 0.03 92 T H H 86.65 2.57 11.46 14.96 93.23 51.00 -69.09 -33.12 18.63 0.18 81.19 5.11 2.63 10.75 79.76 1.57 0.02 0.07 0.09 93 A H H 86.17 1.26 10.18 11.92 95.17 54.45 -73.84 -23.67 36.00 0.58 63.42 11.43 5.53 19.53 61.07 1.88 0.04 0.22 0.31 94 S C H 88.88 1.29 8.80 10.86 100.25 59.69 -82.70 -4.17 64.26 0.44 35.31 36.10 1.85 23.76 36.53 1.34 0.00 0.17 0.25 95 A C C 80.33 3.01 10.41 14.95 107.02 85.20 -81.62 91.79 99.92 0.03 0.06 99.70 0.11 0.14 0.04 0.00 0.00 0.01 0.00